5-methyl-2-[3-(methylamino)butyl]pyridazin-3-one

C10H17N3O — CID 106548506

IUPAC5-methyl-2-[3-(methylamino)butyl]pyridazin-3-one
SMILESCNC(C)CCn1ncc(C)cc1=O
InChIInChI=1S/C10H17N3O/c1-8-6-10(14)13(12-7-8)5-4-9(2)11-3/h6-7,9,11H,4-5H2,1-3H3
InChIKeyWDYQLZLTWRZEDI-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.55
Rot. Bonds4

About 5-methyl-2-[3-(methylamino)butyl]pyridazin-3-one

5-methyl-2-[3-(methylamino)butyl]pyridazin-3-one (PubChem CID 106548506) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 5-methyl-2-[3-(methylamino)butyl]pyridazin-3-one.

Molecular Properties

Compound Name5-methyl-2-[3-(methylamino)butyl]pyridazin-3-one
PubChem CID106548506
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name5-methyl-2-[3-(methylamino)butyl]pyridazin-3-one
SMILESCNC(C)CCn1ncc(C)cc1=O
InChIInChI=1S/C10H17N3O/c1-8-6-10(14)13(12-7-8)5-4-9(2)11-3/h6-7,9,11H,4-5H2,1-3H3
InChIKeyWDYQLZLTWRZEDI-UHFFFAOYSA-N
XLogP0.55
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-5-methylpyridazin-3-one
CID 106548347
5-(Aminomethyl)-2-ethylpyridazin-3(2H)-one
CID 21066412
2-methyl-3-oxo-N-propan-2-ylpyridazine-4-carboxamide
CID 58988011
5-Methyl-2-(propan-2-yl)-2,3-dihydropyridazin-3-one
CID 125451803
4-Methanimidoyl-5-(methylamino)-2-prop-2-enylpyridazin-3-one
CID 156187890
Ethane;5-methyl-2-propan-2-ylpyridazin-3-one
CID 169135485
6-oxo-N-propan-2-yl-1H-pyridazine-4-carboxamide
CID 170237311
2-Cyclobutyl-5-methylpyridazin-3-one;propane
CID 171811526
2-[3-(Propylamino)butyl]pyridazin-3-one
CID 62848727
2-[2-(Butan-2-ylamino)ethyl]pyridazin-3-one
CID 62848750
2-[3-(Methylamino)butyl]pyridazin-3-one
CID 62849068
2-[3-(2-Methylpropylamino)propyl]pyridazin-3-one
CID 62849445

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[3-(methylamino)butyl]pyridazin-3-one?
The IUPAC name of 5-methyl-2-[3-(methylamino)butyl]pyridazin-3-one (CID 106548506) is 5-methyl-2-[3-(methylamino)butyl]pyridazin-3-one.
What is the SMILES notation for 5-methyl-2-[3-(methylamino)butyl]pyridazin-3-one?
The canonical SMILES for 5-methyl-2-[3-(methylamino)butyl]pyridazin-3-one is CNC(C)CCn1ncc(C)cc1=O.
What is the InChIKey of 5-methyl-2-[3-(methylamino)butyl]pyridazin-3-one?
The InChIKey is WDYQLZLTWRZEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8-6-10(14)13(12-7-8)5-4-9(2)11-3/h6-7,9,11H,4-5H2,1-3H3.
What are the key properties of 5-methyl-2-[3-(methylamino)butyl]pyridazin-3-one?
5-methyl-2-[3-(methylamino)butyl]pyridazin-3-one has a molecular weight of 195.27 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[3-(methylamino)butyl]pyridazin-3-one is sourced from PubChem (CID 106548506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).